Geometry & MOs

Info

ID:	32690
PubChem CID:	7847161
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	353.118257
ΔH_f, kcal/mol:	-117.88
Dipole, Da:	4.95
IP(EA), eV:	-9.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(2-chlorophenyl)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N3C[C@@]4(C[C@@H]3CC(C4)(C)C)C

DOS

IR

Vibrations